pH_front = 7

-- -----------------------------------------------------------------------------
-- diffusion coefficients
-- -----------------------------------------------------------------------------

D_h = 9.3046e-9;
D_w = 5.2291e-9;

D_CO2       = 1.9e-9;
D_Bicarb    = 1.4532e-9;
D_Carbonate = 0.9222e-9;

D_Acetate = 1.0888e-09;

D_Na = 1.3328e-09;
D_K  = 1.9568e-09;
D_Cl = 2.0313e-09;

-- -----------------------------------------------------------------------------
-- species
-- -----------------------------------------------------------------------------
species =
{
	{ "H+",     1, D_h },
	{ "HO-",   -1, D_w },
    { "AcH",    0, D_Acetate   },
    { "Ac-",   -1, D_Acetate   },
    { "CO2",    0, D_CO2       },
    { "HCO3-", -1, D_Bicarb    },
    { "CO3--", -2, D_Carbonate },
    { "Na+",    1, D_Na        } 
};


equilibria =
{
    { "water",  1e-14,     { 1, "H+" }, { 1, "HO-" } },
    { "acetic", 10^(-4.7), { 1, "H+"},  { 1, "Ac-"}, { -1, "AcH"} },
    { "K1",     4.45e-7,   { 1, "H+"},  { 1, "HCO3-"}, {-1,"CO2"} },
    { "K2",     4.69e-11,  { 1, "H+"},  { 1, "CO3--"}, {-1,"HCO3-"} }
};

-- the programm add the electroneutrality
ini_left =
{
    { 1.0,    { 1, "AcH" }, { 1, "Ac-" } },
    { 0.0,    { 1,  "Na+"}  },
    { 0.0,    { 1,  "CO2"}, { 1, "HCO3-"}, { 1, "CO3--"} }
}

ini_right =
{
    { 0.0,     { 1, "AcH" }, { 1, "Ac-" } },
    { 1.0,     { 1, "Na+" } },
    { 1.0,     { 1,  "CO2"}, { 1, "HCO3-"}, { 1, "CO3--"} }
}

ini_core =
{
    { 0.0,     { 1, "AcH" }, { 1, "Ac-" } },
    { 0.0,     { 1, "Na+" } },
    { 0.0,     { 1,  "CO2"}, { 1, "HCO3-"}, { 1, "CO3--"} }
}

ntop        = 500;    -- mesh: 0..ntop
gel_length  = 0.5e-2; -- in meters
noRightFlux = false;  -- boundary condition
